methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride

C6H11ClN2O3 — CID 154810975

IUPACmethyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(=O)NN1C.Cl
InChIInChI=1S/C6H10N2O3.ClH/c1-8-4(6(10)11-2)3-5(9)7-8;/h4H,3H2,1-2H3,(H,7,9);1H
InChIKeyCHVPGGGXWIHPGV-UHFFFAOYSA-N
MW194.62 g/mol
LogP-0.68
Rot. Bonds1

About methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride

methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride (PubChem CID 154810975) has the molecular formula C6H11ClN2O3 and a molecular weight of 194.62 g/mol. Its IUPAC name is methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride
PubChem CID154810975
Molecular FormulaC6H11ClN2O3
Molecular Weight194.62 g/mol
Exact Mass194.05
IUPAC Namemethyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CC(=O)NN1C.Cl
InChIInChI=1S/C6H10N2O3.ClH/c1-8-4(6(10)11-2)3-5(9)7-8;/h4H,3H2,1-2H3,(H,7,9);1H
InChIKeyCHVPGGGXWIHPGV-UHFFFAOYSA-N
XLogP-0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 1-methyl-4-methylidenepyrrolidine-2-carboxylate;hydrochloride
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methyl (2S)-1,4-dimethyl-5-oxopyrrolidine-2-carboxylate
CID 163762607
1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 10912226
methyl (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11240720
methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
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methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate
CID 83817545
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride (CID 154810975) is methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride is COC(=O)C1CC(=O)NN1C.Cl.
What is the InChIKey of methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride?
The InChIKey is CHVPGGGXWIHPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3.ClH/c1-8-4(6(10)11-2)3-5(9)7-8;/h4H,3H2,1-2H3,(H,7,9);1H.
What are the key properties of methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride?
methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 154810975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).